4-chloro-1-[(4-methylcyclohexyl)methyl]benzimidazol-2-amine

C15H20ClN3 — CID 104837112

IUPAC4-chloro-1-[(4-methylcyclohexyl)methyl]benzimidazol-2-amine
SMILESCC1CCC(Cn2c(N)nc3c(Cl)cccc32)CC1
InChIInChI=1S/C15H20ClN3/c1-10-5-7-11(8-6-10)9-19-13-4-2-3-12(16)14(13)18-15(19)17/h2-4,10-11H,5-9H2,1H3,(H2,17,18)
InChIKeyKARWOCMRPCHEBT-UHFFFAOYSA-N
MW277.80 g/mol
LogP4.10
Rot. Bonds2

About 4-chloro-1-[(4-methylcyclohexyl)methyl]benzimidazol-2-amine

4-chloro-1-[(4-methylcyclohexyl)methyl]benzimidazol-2-amine (PubChem CID 104837112) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 4-chloro-1-[(4-methylcyclohexyl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name4-chloro-1-[(4-methylcyclohexyl)methyl]benzimidazol-2-amine
PubChem CID104837112
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name4-chloro-1-[(4-methylcyclohexyl)methyl]benzimidazol-2-amine
SMILESCC1CCC(Cn2c(N)nc3c(Cl)cccc32)CC1
InChIInChI=1S/C15H20ClN3/c1-10-5-7-11(8-6-10)9-19-13-4-2-3-12(16)14(13)18-15(19)17/h2-4,10-11H,5-9H2,1H3,(H2,17,18)
InChIKeyKARWOCMRPCHEBT-UHFFFAOYSA-N
XLogP4.10
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-1-[(4-methylcyclohexyl)methyl]benzimidazol-2-amine
CID 63547309
4-chloro-2-(2-chloroethyl)-1-[(3-methylcyclopentyl)methyl]benzimidazole
CID 107414431
4-chloro-1-(3-cyclopentylpropyl)benzimidazol-2-amine
CID 106008029
4-chloro-1-[(1,1-dioxothiolan-2-yl)methyl]benzimidazol-2-amine
CID 104837221
4-chloro-1-[(4-ethylphenyl)methyl]benzimidazol-2-amine
CID 106900318
1-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-2-amine
CID 79296348
2-(2-amino-4-chlorobenzimidazol-1-yl)acetamide
CID 104836765
4-chloro-2-(2-chloroethyl)-1-(cyclohexylmethyl)benzimidazole
CID 104837648
4-chloro-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-2-amine
CID 104837217
4-chloro-1-[2-(2-methylphenyl)ethyl]benzimidazol-2-amine
CID 104837197
7-chloro-1-(cyclopentylmethyl)benzimidazol-2-amine
CID 43662069
3-(2-amino-4-chlorobenzimidazol-1-yl)propanoic acid
CID 84736899

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[(4-methylcyclohexyl)methyl]benzimidazol-2-amine?
The IUPAC name of 4-chloro-1-[(4-methylcyclohexyl)methyl]benzimidazol-2-amine (CID 104837112) is 4-chloro-1-[(4-methylcyclohexyl)methyl]benzimidazol-2-amine.
What is the SMILES notation for 4-chloro-1-[(4-methylcyclohexyl)methyl]benzimidazol-2-amine?
The canonical SMILES for 4-chloro-1-[(4-methylcyclohexyl)methyl]benzimidazol-2-amine is CC1CCC(Cn2c(N)nc3c(Cl)cccc32)CC1.
What is the InChIKey of 4-chloro-1-[(4-methylcyclohexyl)methyl]benzimidazol-2-amine?
The InChIKey is KARWOCMRPCHEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-10-5-7-11(8-6-10)9-19-13-4-2-3-12(16)14(13)18-15(19)17/h2-4,10-11H,5-9H2,1H3,(H2,17,18).
What are the key properties of 4-chloro-1-[(4-methylcyclohexyl)methyl]benzimidazol-2-amine?
4-chloro-1-[(4-methylcyclohexyl)methyl]benzimidazol-2-amine has a molecular weight of 277.80 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[(4-methylcyclohexyl)methyl]benzimidazol-2-amine is sourced from PubChem (CID 104837112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).